CID 52988141

(2-isopropyl-6-methylphenyl)boronic acid

Structural Information

Molecular Formula

C₁₀H₁₅BO₂

SMILES

B(C1=C(C=CC=C1C(C)C)C)(O)O

InChI

InChI=1S/C10H15BO2/c1-7(2)9-6-4-5-8(3)10(9)11(12)13/h4-7,12-13H,1-3H3

InChIKey

PJYHJOUTVMAXLG-UHFFFAOYSA-N

Compound name

(2-methyl-6-propan-2-ylphenyl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 178.11652 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.12380	138.9
[M+Na]+	201.10574	150.6
[M+NH4]+	196.15034	146.8
[M+K]+	217.07968	145.8
[M-H]-	177.10924	139.9
[M+Na-2H]-	199.09119	143.9
[M]+	178.11597	140.7
[M]-	178.11707	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe